N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H24ClN5O2 — CID 119680469

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-21(11-13-3-5-15(24-2)6-4-13)17(23)16-12-22(20-19-16)14-7-9-18-10-8-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H
InChIKeyDVGWRVMIBZBTKW-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.91
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119680469) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119680469
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-21(11-13-3-5-15(24-2)6-4-13)17(23)16-12-22(20-19-16)14-7-9-18-10-8-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H
InChIKeyDVGWRVMIBZBTKW-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681238
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119683686
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688580
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 64518073
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119680469) is N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccc(CN(C)C(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is DVGWRVMIBZBTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-21(11-13-3-5-15(24-2)6-4-13)17(23)16-12-22(20-19-16)14-7-9-18-10-8-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119680469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).